L. Evangelisti, L. Favero, W. Caminati
Aug 20, 2010
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Influential Citations
11
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Journal
Journal of Molecular Structure
Abstract
Abstract The rotational spectra of 2,5-difluorobenzyl alcohol and of its OD isotopologue have been assigned and measured in a supersonic expansion by Fourier transform microwave spectroscopy. The hydroxyl oxygen is gauche (with a dihedral angle of ∼65°) with respect to the ring, but tilted towards the F atom in ortho (position 2) rather than towards the F atom in meta (position 5). The hydroxyl hydrogen points towards the 2-F atom, in such a way to form a OH⋯F hydrogen bridge. No tunnelling effects due to the two equivalent configurations with the OH group above and below the aromatic ring have been observed.